3-[(2S)-2-{[(4-Methylphenyl)Sulfonyl]Amino}-3-Oxo-3-(1-Piperidinyl)Propyl]Benzenecarboximidamide

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Properties Simple | Detailed

Formula C22H28N4O3S
IUPAC Name [azaniumylidene-[3-[(2s)-3-oxo-3-(1-piperidyl)-2-(p-tolylsulfonylamino)propyl]phenyl]methyl]azanide
Molecular Mass 428.548 g·mol−1
Heat of Formation -371.0 ± 16.7 kJ·mol−1
Dipole Moment 8.97 ± 1.08 D
Volume 517.79 Å 3
Surface Area 385.97 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy -0.34 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[(2s)-2-[(4-methylphenyl)sulfonylamino]-3-oxo-3-(1-piperidyl)propyl]benzamidine
  • 3-[(2s)-2-[(4-methylphenyl)sulfonylamino]-3-oxo-3-piperidin-1-yl-propyl]benzenecarboximidamide
  • 3-[(2s)-2-[(4-methylphenyl)sulfonylamino]-3-oxo-3-piperidin-1-ylpropyl]benzenecarboximidamide
  • 3-[(2s)-3-keto-2-[(4-methylphenyl)sulfonylamino]-3-piperidino-propyl]benzamidine
  • tos-apm-pip
InChIKey RNNMXTSTLVYYQG-FQEVSTJZSA-N
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